6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol

C15H31NO5 — CID 147559887

IUPAC6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESC=C(CCCCCCC)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C15H31NO5/c1-3-4-5-6-7-8-11(2)16-9-12(18)14(20)15(21)13(19)10-17/h12-21H,2-10H2,1H3
InChIKeyFSKPTSFMCGEKDM-UHFFFAOYSA-N
MW305.42 g/mol
LogP-0.11
Rot. Bonds13

About 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol

6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol (PubChem CID 147559887) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol
PubChem CID147559887
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol
SMILESC=C(CCCCCCC)NCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C15H31NO5/c1-3-4-5-6-7-8-11(2)16-9-12(18)14(20)15(21)13(19)10-17/h12-21H,2-10H2,1H3
InChIKeyFSKPTSFMCGEKDM-UHFFFAOYSA-N
XLogP-0.11
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol (CID 147559887) is 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol is C=C(CCCCCCC)NCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is FSKPTSFMCGEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-3-4-5-6-7-8-11(2)16-9-12(18)14(20)15(21)13(19)10-17/h12-21H,2-10H2,1H3.
What are the key properties of 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol?
6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 305.42 g/mol, XLogP of -0.11, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(non-1-en-2-ylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 147559887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).